1PL4

Crystal Structure of human MnSOD Y166F mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	CCD
Collection date	2001-12-21
Detector	ADSC QUANTUM 4
Wavelength(s)	1.00
Spacegroup name	P 21 21 21
Unit cell lengths	73.689, 77.711, 135.795
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 1.470
R-factor	0.2
Rwork	0.185
R-free	0.25400 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ABM
RMSD bond length	0.005
RMSD bond angle	0.024
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	SHELXL

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.500
High resolution limit [Å]	1.450	1.470
Rmerge	0.049	0.386 *
Number of reflections	123885
<I/σ(I)>	17.7	2.2
Completeness [%]	93.3	73
Redundancy	3.2	1.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.6	298	PEG 3350, potassium phosphate, pH 7.6, VAPOR DIFFUSION, temperature 298.0K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	6 (mg/ml)
2	1	reservoir	potassium phosphate	25 (mM)	pH7.6
3	1	reservoir	PEG3350	25 (%)